Compound Detail
CHEMBL362502
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COc1cc(OC)cc(-c2cc3cnc(N(CCCO)C(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL362502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAIWEHICLXWDIS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
3.97
ALogP
7
HBA
3
HBD
125.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.85 | 5.2 | 1400.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... | 16000000 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... | 16000000 |
| Fibroblast growth factor receptor 1 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob... | 16000000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16000000 | 10.1021/jm0500931 | Fibroblast growth factor receptor 1 | 2 |
| 16000000 | 10.1021/jm0500931 | Vascular endothelial growth factor receptor 2 | 1 |
| 16000000 | 10.1021/jm0500931 | Platelet-derived growth factor receptor beta | 1 |
| 16000000 | 10.1021/jm0500931 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine